(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine

C8H13ClN4S — CID 80921912

IUPAC(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
SMILESCCCCSc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN4S/c1-2-3-4-14-7-6(9)5-11-8(12-7)13-10/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyBAVGFDXVUGVGEQ-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.31
Rot. Bonds5

About (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine

(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine (PubChem CID 80921912) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
PubChem CID80921912
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine
SMILESCCCCSc1nc(NN)ncc1Cl
InChIInChI=1S/C8H13ClN4S/c1-2-3-4-14-7-6(9)5-11-8(12-7)13-10/h5H,2-4,10H2,1H3,(H,11,12,13)
InChIKeyBAVGFDXVUGVGEQ-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80922919
5-chloro-N-decyl-2-hydrazinylpyrimidin-4-amine
CID 80929289
4-butylsulfanyl-N-ethyl-5-methylpyrimidin-2-amine
CID 80884313
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80883328
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylbutan-2-ol
CID 107772950
5-chloro-2-hydrazinyl-N-(3-methylsulfanylpropyl)pyrimidin-4-amine
CID 80913327
[5-chloro-4-(3,4-dimethylphenyl)sulfanylpyrimidin-2-yl]hydrazine
CID 80931464
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
[5-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 80923061
[5-bromo-4-(2-methoxyethylsulfanyl)pyrimidin-2-yl]hydrazine
CID 80922146
2-(5-bromo-2-hydrazinylpyrimidin-4-yl)sulfanylethanol
CID 80921412
[5-chloro-4-(2-propoxyethoxy)pyrimidin-2-yl]hydrazine
CID 80923947

Frequently Asked Questions

What is the IUPAC name of (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine?
The IUPAC name of (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine (CID 80921912) is (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine.
What is the SMILES notation for (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine?
The canonical SMILES for (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine is CCCCSc1nc(NN)ncc1Cl.
What is the InChIKey of (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine?
The InChIKey is BAVGFDXVUGVGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-2-3-4-14-7-6(9)5-11-8(12-7)13-10/h5H,2-4,10H2,1H3,(H,11,12,13).
What are the key properties of (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine?
(4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine has a molecular weight of 232.74 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylsulfanyl-5-chloropyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80921912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).